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162290-05-3 | 2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
CAS No: 162290-05-3 Catalog No: AG001SZ3 MDL No:MFCD22418616
Product Description
Catalog Number:
AG001SZ3
Chemical Name:
2H-1-Benzopyran-7-ol, 3,4-dihydro-2-(3-hydroxy-4-methoxyphenyl)-, (2S)-
CAS Number:
162290-05-3
Molecular Formula:
C16H16O4
Molecular Weight:
272.2958
MDL Number:
MFCD22418616
IUPAC Name:
(2S)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
InChI:
InChI=1S/C16H16O4/c1-19-15-7-4-11(8-13(15)18)14-6-3-10-2-5-12(17)9-16(10)20-14/h2,4-5,7-9,14,17-18H,3,6H2,1H3/t14-/m0/s1
InChI Key:
KGTOSQKIOMIICT-AWEZNQCLSA-N
SMILES:
COc1ccc(cc1O)[C@@H]1CCc2c(O1)cc(cc2)O
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
272.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.3g/mol
Monoisotopic Mass:
272.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Two novel ceramides with a phytosphingolipid and a tertiary amide structure from Zephyranthes candida. | Lipids 20090101 |
| [Studies on chemical constituents from Zephyranthes candida]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20081001 |
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